ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate

C20H22N4O3 — CID 127043181

IUPACethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(C(=O)N1CCN(C)CC1)c1ccccc12
InChIInChI=1S/C20H22N4O3/c1-3-27-20(26)18-17-12-15(19(25)23-10-8-22(2)9-11-23)14-6-4-5-7-16(14)24(17)13-21-18/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDDRFCEMSAQGUTO-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.05
Rot. Bonds3

About ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate

ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127043181) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127043181
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nameethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(C(=O)N1CCN(C)CC1)c1ccccc12
InChIInChI=1S/C20H22N4O3/c1-3-27-20(26)18-17-12-15(19(25)23-10-8-22(2)9-11-23)14-6-4-5-7-16(14)24(17)13-21-18/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDDRFCEMSAQGUTO-UHFFFAOYSA-N
XLogP2.05
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate (CID 127043181) is ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1ncn2c1cc(C(=O)N1CCN(C)CC1)c1ccccc12.
What is the InChIKey of ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is DDRFCEMSAQGUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-27-20(26)18-17-12-15(19(25)23-10-8-22(2)9-11-23)14-6-4-5-7-16(14)24(17)13-21-18/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127043181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).